USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot 180:sc= 0.979 USER MOD Set 1.2: A 87 SER OG : rot -85:sc= 1.14 USER MOD Set 2.1: A 41 LYS NZ :NH3+ 149:sc= -0.0158 (180deg=0) USER MOD Set 2.2: A 80 MET CE :methyl 144:sc= -0.32 (180deg=-2.63!) USER MOD Single : A 12 THR OG1 : rot 122:sc= 0.0419 USER MOD Single : A 13 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 130:sc= -0.236 USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= -0.328 (180deg=-1.4!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 30 CYS SG : rot 17:sc= 0.314 USER MOD Single : A 33 SER OG : rot 130:sc= 0.71 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0475 (180deg=-0.353) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.997 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -4:sc= 0.0137 USER MOD Single : A 65 GLN : amide:sc= -0.0675 K(o=-0.067,f=-2!) USER MOD Single : A 67 HIS : no HE2:sc= -0.818 K(o=-0.82,f=-1.7) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 165:sc= -0.309 USER MOD Single : A 79 CYS SG : rot 105:sc= 0.493 USER MOD Single : A 81 CYS SG : rot -110:sc= -3.52! USER MOD Single : A 83 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.012) USER MOD Single : A 86 THR OG1 : rot 110:sc= -0.292 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 11.370 23.869 -2.758 1.00 0.00 N ATOM 81 CA ALA A 9 11.019 23.327 -1.451 1.00 0.00 C ATOM 82 C ALA A 9 11.950 22.182 -1.065 1.00 0.00 C ATOM 83 O ALA A 9 12.390 21.412 -1.919 1.00 0.00 O ATOM 84 CB ALA A 9 9.572 22.858 -1.446 1.00 0.00 C ATOM 0 HA ALA A 9 11.135 24.120 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.323 22.456 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.916 23.699 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.438 22.083 -2.200 1.00 0.00 H new ATOM 90 N ARG A 10 12.246 22.076 0.226 1.00 0.00 N ATOM 91 CA ARG A 10 13.126 21.027 0.725 1.00 0.00 C ATOM 92 C ARG A 10 12.426 20.193 1.794 1.00 0.00 C ATOM 93 O ARG A 10 11.719 20.727 2.649 1.00 0.00 O ATOM 94 CB ARG A 10 14.408 21.635 1.296 1.00 0.00 C ATOM 95 CG ARG A 10 14.169 22.566 2.474 1.00 0.00 C ATOM 96 CD ARG A 10 15.348 22.565 3.433 1.00 0.00 C ATOM 97 NE ARG A 10 14.959 22.977 4.779 1.00 0.00 N ATOM 98 CZ ARG A 10 14.600 24.217 5.093 1.00 0.00 C ATOM 99 NH1 ARG A 10 14.580 25.161 4.163 1.00 0.00 N ATOM 100 NH2 ARG A 10 14.259 24.514 6.341 1.00 0.00 N ATOM 0 H ARG A 10 11.889 22.704 0.946 1.00 0.00 H new ATOM 0 HA ARG A 10 13.382 20.375 -0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.073 20.830 1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.922 22.185 0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.996 23.579 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.267 22.260 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.783 21.566 3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.121 23.236 3.058 1.00 0.00 H new ATOM 0 HE ARG A 10 14.963 22.274 5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.841 24.937 3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.304 26.112 4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.273 23.790 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.983 25.466 6.582 1.00 0.00 H new ATOM 114 N PHE A 11 12.628 18.880 1.739 1.00 0.00 N ATOM 115 CA PHE A 11 12.015 17.972 2.702 1.00 0.00 C ATOM 116 C PHE A 11 12.451 18.311 4.124 1.00 0.00 C ATOM 117 O PHE A 11 13.629 18.561 4.382 1.00 0.00 O ATOM 118 CB PHE A 11 12.384 16.523 2.375 1.00 0.00 C ATOM 119 CG PHE A 11 11.623 15.959 1.209 1.00 0.00 C ATOM 120 CD1 PHE A 11 10.336 15.474 1.374 1.00 0.00 C ATOM 121 CD2 PHE A 11 12.196 15.914 -0.052 1.00 0.00 C ATOM 122 CE1 PHE A 11 9.633 14.954 0.303 1.00 0.00 C ATOM 123 CE2 PHE A 11 11.497 15.396 -1.127 1.00 0.00 C ATOM 124 CZ PHE A 11 10.215 14.915 -0.948 1.00 0.00 C ATOM 0 H PHE A 11 13.211 18.422 1.039 1.00 0.00 H new ATOM 0 HA PHE A 11 10.933 18.088 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.452 16.467 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.201 15.903 3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.876 15.502 2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.199 16.287 -0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.630 14.579 0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.953 15.368 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.668 14.509 -1.786 1.00 0.00 H new ATOM 134 N THR A 12 11.492 18.318 5.045 1.00 0.00 N ATOM 135 CA THR A 12 11.775 18.629 6.440 1.00 0.00 C ATOM 136 C THR A 12 11.588 17.401 7.325 1.00 0.00 C ATOM 137 O THR A 12 12.208 17.287 8.382 1.00 0.00 O ATOM 138 CB THR A 12 10.871 19.763 6.958 1.00 0.00 C ATOM 139 OG1 THR A 12 9.495 19.392 6.826 1.00 0.00 O ATOM 140 CG2 THR A 12 11.130 21.053 6.194 1.00 0.00 C ATOM 0 H THR A 12 10.512 18.112 4.849 1.00 0.00 H new ATOM 0 HA THR A 12 12.814 18.954 6.487 1.00 0.00 H new ATOM 0 HB THR A 12 11.102 19.930 8.010 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.063 19.420 7.705 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.480 21.840 6.577 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.171 21.349 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.924 20.896 5.135 1.00 0.00 H new ATOM 148 N GLN A 13 10.731 16.486 6.886 1.00 0.00 N ATOM 149 CA GLN A 13 10.463 15.266 7.639 1.00 0.00 C ATOM 150 C GLN A 13 10.711 14.031 6.781 1.00 0.00 C ATOM 151 O GLN A 13 9.953 13.745 5.853 1.00 0.00 O ATOM 152 CB GLN A 13 9.022 15.265 8.152 1.00 0.00 C ATOM 153 CG GLN A 13 8.866 15.891 9.529 1.00 0.00 C ATOM 154 CD GLN A 13 9.493 15.054 10.626 1.00 0.00 C ATOM 155 OE1 GLN A 13 10.507 14.388 10.412 1.00 0.00 O ATOM 156 NE2 GLN A 13 8.892 15.082 11.809 1.00 0.00 N ATOM 0 H GLN A 13 10.210 16.566 6.013 1.00 0.00 H new ATOM 0 HA GLN A 13 11.144 15.237 8.490 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.393 15.804 7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.658 14.238 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.322 16.881 9.527 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.806 16.029 9.743 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.054 15.648 11.942 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.268 14.538 12.585 1.00 0.00 H new ATOM 165 N ASP A 14 11.775 13.301 7.095 1.00 0.00 N ATOM 166 CA ASP A 14 12.123 12.095 6.353 1.00 0.00 C ATOM 167 C ASP A 14 10.870 11.311 5.974 1.00 0.00 C ATOM 168 O ASP A 14 9.962 11.140 6.788 1.00 0.00 O ATOM 169 CB ASP A 14 13.060 11.214 7.180 1.00 0.00 C ATOM 170 CG ASP A 14 14.188 12.004 7.814 1.00 0.00 C ATOM 171 OD1 ASP A 14 13.909 12.804 8.732 1.00 0.00 O ATOM 172 OD2 ASP A 14 15.349 11.821 7.394 1.00 0.00 O ATOM 0 H ASP A 14 12.412 13.524 7.860 1.00 0.00 H new ATOM 0 HA ASP A 14 12.633 12.395 5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.488 10.713 7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.479 10.436 6.542 1.00 0.00 H new ATOM 177 N LEU A 15 10.828 10.837 4.733 1.00 0.00 N ATOM 178 CA LEU A 15 9.687 10.072 4.245 1.00 0.00 C ATOM 179 C LEU A 15 9.291 8.988 5.243 1.00 0.00 C ATOM 180 O LEU A 15 10.143 8.275 5.772 1.00 0.00 O ATOM 181 CB LEU A 15 10.013 9.439 2.891 1.00 0.00 C ATOM 182 CG LEU A 15 8.831 9.237 1.943 1.00 0.00 C ATOM 183 CD1 LEU A 15 9.311 8.730 0.592 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.821 8.272 2.548 1.00 0.00 C ATOM 0 H LEU A 15 11.571 10.969 4.047 1.00 0.00 H new ATOM 0 HA LEU A 15 8.847 10.756 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.753 10.063 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.480 8.470 3.068 1.00 0.00 H new ATOM 0 HG LEU A 15 8.341 10.199 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.456 8.592 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.996 9.456 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.826 7.778 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.986 8.140 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.300 7.309 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.453 8.675 3.492 1.00 0.00 H new ATOM 196 N LYS A 16 7.991 8.868 5.494 1.00 0.00 N ATOM 197 CA LYS A 16 7.480 7.869 6.425 1.00 0.00 C ATOM 198 C LYS A 16 6.794 6.730 5.678 1.00 0.00 C ATOM 199 O LYS A 16 6.275 6.919 4.578 1.00 0.00 O ATOM 200 CB LYS A 16 6.500 8.513 7.408 1.00 0.00 C ATOM 201 CG LYS A 16 5.728 7.507 8.244 1.00 0.00 C ATOM 202 CD LYS A 16 4.421 7.114 7.577 1.00 0.00 C ATOM 203 CE LYS A 16 3.711 6.012 8.349 1.00 0.00 C ATOM 204 NZ LYS A 16 2.881 6.557 9.459 1.00 0.00 N ATOM 0 H LYS A 16 7.272 9.451 5.065 1.00 0.00 H new ATOM 0 HA LYS A 16 8.324 7.459 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.050 9.179 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.793 9.129 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.339 6.618 8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.523 7.931 9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.771 7.986 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.617 6.778 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.078 5.442 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.449 5.319 8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.414 5.774 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.488 7.079 10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.160 7.198 9.071 1.00 0.00 H new ATOM 218 N THR A 17 6.794 5.547 6.284 1.00 0.00 N ATOM 219 CA THR A 17 6.171 4.377 5.677 1.00 0.00 C ATOM 220 C THR A 17 5.567 3.464 6.737 1.00 0.00 C ATOM 221 O THR A 17 5.800 3.642 7.933 1.00 0.00 O ATOM 222 CB THR A 17 7.183 3.573 4.839 1.00 0.00 C ATOM 223 OG1 THR A 17 6.517 2.502 4.162 1.00 0.00 O ATOM 224 CG2 THR A 17 8.291 3.014 5.719 1.00 0.00 C ATOM 0 H THR A 17 7.219 5.374 7.195 1.00 0.00 H new ATOM 0 HA THR A 17 5.379 4.744 5.023 1.00 0.00 H new ATOM 0 HB THR A 17 7.628 4.244 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.759 2.515 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.994 2.450 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.815 3.834 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.859 2.356 6.474 1.00 0.00 H new ATOM 232 N LYS A 18 4.788 2.483 6.292 1.00 0.00 N ATOM 233 CA LYS A 18 4.151 1.538 7.202 1.00 0.00 C ATOM 234 C LYS A 18 4.285 0.110 6.684 1.00 0.00 C ATOM 235 O LYS A 18 4.603 -0.109 5.516 1.00 0.00 O ATOM 236 CB LYS A 18 2.673 1.890 7.382 1.00 0.00 C ATOM 237 CG LYS A 18 1.819 1.573 6.167 1.00 0.00 C ATOM 238 CD LYS A 18 1.264 0.159 6.229 1.00 0.00 C ATOM 239 CE LYS A 18 -0.020 0.100 7.042 1.00 0.00 C ATOM 240 NZ LYS A 18 0.249 -0.150 8.485 1.00 0.00 N ATOM 0 H LYS A 18 4.583 2.322 5.306 1.00 0.00 H new ATOM 0 HA LYS A 18 4.654 1.605 8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.281 1.347 8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.586 2.953 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.996 2.285 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.414 1.692 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.073 -0.203 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.007 -0.506 6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.564 1.038 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.662 -0.689 6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.451 -0.823 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.204 -0.546 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.182 0.745 9.011 1.00 0.00 H new ATOM 254 N GLU A 19 4.039 -0.858 7.562 1.00 0.00 N ATOM 255 CA GLU A 19 4.132 -2.266 7.192 1.00 0.00 C ATOM 256 C GLU A 19 2.743 -2.875 7.018 1.00 0.00 C ATOM 257 O GLU A 19 1.937 -2.885 7.948 1.00 0.00 O ATOM 258 CB GLU A 19 4.913 -3.044 8.252 1.00 0.00 C ATOM 259 CG GLU A 19 6.211 -2.372 8.668 1.00 0.00 C ATOM 260 CD GLU A 19 6.637 -2.746 10.074 1.00 0.00 C ATOM 261 OE1 GLU A 19 6.368 -3.892 10.490 1.00 0.00 O ATOM 262 OE2 GLU A 19 7.239 -1.893 10.759 1.00 0.00 O ATOM 0 H GLU A 19 3.774 -0.693 8.533 1.00 0.00 H new ATOM 0 HA GLU A 19 4.661 -2.332 6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.283 -3.175 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.136 -4.040 7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.999 -2.648 7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.093 -1.290 8.604 1.00 0.00 H new ATOM 269 N ALA A 20 2.472 -3.382 5.819 1.00 0.00 N ATOM 270 CA ALA A 20 1.183 -3.994 5.523 1.00 0.00 C ATOM 271 C ALA A 20 1.362 -5.367 4.883 1.00 0.00 C ATOM 272 O ALA A 20 2.466 -5.737 4.483 1.00 0.00 O ATOM 273 CB ALA A 20 0.365 -3.089 4.615 1.00 0.00 C ATOM 0 H ALA A 20 3.128 -3.381 5.038 1.00 0.00 H new ATOM 0 HA ALA A 20 0.647 -4.127 6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.595 -3.559 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.199 -2.132 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.904 -2.927 3.682 1.00 0.00 H new ATOM 279 N SER A 21 0.269 -6.118 4.790 1.00 0.00 N ATOM 280 CA SER A 21 0.306 -7.452 4.202 1.00 0.00 C ATOM 281 C SER A 21 -0.021 -7.399 2.713 1.00 0.00 C ATOM 282 O SER A 21 -0.500 -6.384 2.208 1.00 0.00 O ATOM 283 CB SER A 21 -0.679 -8.376 4.920 1.00 0.00 C ATOM 284 OG SER A 21 -2.018 -7.994 4.660 1.00 0.00 O ATOM 0 H SER A 21 -0.653 -5.825 5.114 1.00 0.00 H new ATOM 0 HA SER A 21 1.315 -7.846 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.521 -9.404 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.492 -8.349 5.993 1.00 0.00 H new ATOM 0 HG SER A 21 -2.628 -8.601 5.129 1.00 0.00 H new ATOM 290 N GLU A 22 0.240 -8.500 2.016 1.00 0.00 N ATOM 291 CA GLU A 22 -0.026 -8.579 0.584 1.00 0.00 C ATOM 292 C GLU A 22 -1.500 -8.316 0.290 1.00 0.00 C ATOM 293 O GLU A 22 -2.383 -8.900 0.916 1.00 0.00 O ATOM 294 CB GLU A 22 0.376 -9.953 0.043 1.00 0.00 C ATOM 295 CG GLU A 22 1.824 -10.027 -0.413 1.00 0.00 C ATOM 296 CD GLU A 22 2.131 -11.303 -1.173 1.00 0.00 C ATOM 297 OE1 GLU A 22 1.899 -12.396 -0.617 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.603 -11.206 -2.326 1.00 0.00 O ATOM 0 H GLU A 22 0.635 -9.349 2.419 1.00 0.00 H new ATOM 0 HA GLU A 22 0.569 -7.813 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.209 -10.702 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.273 -10.209 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.046 -9.168 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.479 -9.959 0.456 1.00 0.00 H new ATOM 305 N GLY A 23 -1.757 -7.431 -0.669 1.00 0.00 N ATOM 306 CA GLY A 23 -3.124 -7.105 -1.030 1.00 0.00 C ATOM 307 C GLY A 23 -3.641 -5.883 -0.298 1.00 0.00 C ATOM 308 O GLY A 23 -4.635 -5.281 -0.705 1.00 0.00 O ATOM 0 H GLY A 23 -1.043 -6.934 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.181 -6.932 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.768 -7.956 -0.809 1.00 0.00 H new ATOM 312 N ALA A 24 -2.966 -5.515 0.786 1.00 0.00 N ATOM 313 CA ALA A 24 -3.363 -4.356 1.577 1.00 0.00 C ATOM 314 C ALA A 24 -2.889 -3.060 0.928 1.00 0.00 C ATOM 315 O ALA A 24 -2.320 -3.072 -0.164 1.00 0.00 O ATOM 316 CB ALA A 24 -2.817 -4.471 2.992 1.00 0.00 C ATOM 0 H ALA A 24 -2.142 -6.003 1.137 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.452 -4.332 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.121 -3.599 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.209 -5.373 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.729 -4.523 2.959 1.00 0.00 H new ATOM 322 N THR A 25 -3.128 -1.942 1.606 1.00 0.00 N ATOM 323 CA THR A 25 -2.727 -0.638 1.095 1.00 0.00 C ATOM 324 C THR A 25 -1.835 0.093 2.091 1.00 0.00 C ATOM 325 O THR A 25 -2.252 0.389 3.211 1.00 0.00 O ATOM 326 CB THR A 25 -3.951 0.242 0.778 1.00 0.00 C ATOM 327 OG1 THR A 25 -4.809 -0.430 -0.152 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.520 1.582 0.201 1.00 0.00 C ATOM 0 H THR A 25 -3.598 -1.914 2.511 1.00 0.00 H new ATOM 0 HA THR A 25 -2.169 -0.817 0.176 1.00 0.00 H new ATOM 0 HB THR A 25 -4.492 0.422 1.707 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.586 0.135 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.402 2.186 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.891 2.103 0.922 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.958 1.418 -0.719 1.00 0.00 H new ATOM 336 N ALA A 26 -0.606 0.383 1.677 1.00 0.00 N ATOM 337 CA ALA A 26 0.344 1.082 2.533 1.00 0.00 C ATOM 338 C ALA A 26 0.002 2.565 2.636 1.00 0.00 C ATOM 339 O ALA A 26 -0.915 3.050 1.971 1.00 0.00 O ATOM 340 CB ALA A 26 1.760 0.900 2.009 1.00 0.00 C ATOM 0 H ALA A 26 -0.245 0.144 0.753 1.00 0.00 H new ATOM 0 HA ALA A 26 0.280 0.651 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.459 1.428 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.009 -0.161 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.829 1.303 0.999 1.00 0.00 H new ATOM 346 N THR A 27 0.744 3.282 3.474 1.00 0.00 N ATOM 347 CA THR A 27 0.519 4.709 3.665 1.00 0.00 C ATOM 348 C THR A 27 1.809 5.423 4.051 1.00 0.00 C ATOM 349 O THR A 27 2.277 5.312 5.186 1.00 0.00 O ATOM 350 CB THR A 27 -0.543 4.970 4.750 1.00 0.00 C ATOM 351 OG1 THR A 27 -1.771 4.321 4.400 1.00 0.00 O ATOM 352 CG2 THR A 27 -0.784 6.462 4.924 1.00 0.00 C ATOM 0 H THR A 27 1.507 2.897 4.032 1.00 0.00 H new ATOM 0 HA THR A 27 0.161 5.102 2.714 1.00 0.00 H new ATOM 0 HB THR A 27 -0.174 4.565 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.440 4.490 5.095 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.538 6.621 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.146 6.949 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.133 6.886 3.983 1.00 0.00 H new ATOM 360 N LEU A 28 2.381 6.157 3.103 1.00 0.00 N ATOM 361 CA LEU A 28 3.618 6.890 3.345 1.00 0.00 C ATOM 362 C LEU A 28 3.349 8.387 3.465 1.00 0.00 C ATOM 363 O LEU A 28 2.716 8.985 2.595 1.00 0.00 O ATOM 364 CB LEU A 28 4.618 6.629 2.216 1.00 0.00 C ATOM 365 CG LEU A 28 4.915 5.161 1.910 1.00 0.00 C ATOM 366 CD1 LEU A 28 3.956 4.631 0.855 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.357 4.993 1.454 1.00 0.00 C ATOM 0 H LEU A 28 2.008 6.260 2.159 1.00 0.00 H new ATOM 0 HA LEU A 28 4.042 6.539 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.242 7.100 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.556 7.124 2.467 1.00 0.00 H new ATOM 0 HG LEU A 28 4.773 4.583 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.183 3.585 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.932 4.716 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.065 5.212 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.551 3.942 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.525 5.583 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.030 5.333 2.241 1.00 0.00 H new ATOM 379 N GLN A 29 3.837 8.986 4.547 1.00 0.00 N ATOM 380 CA GLN A 29 3.650 10.413 4.779 1.00 0.00 C ATOM 381 C GLN A 29 4.988 11.144 4.781 1.00 0.00 C ATOM 382 O GLN A 29 5.993 10.618 5.262 1.00 0.00 O ATOM 383 CB GLN A 29 2.927 10.645 6.107 1.00 0.00 C ATOM 384 CG GLN A 29 1.444 10.313 6.058 1.00 0.00 C ATOM 385 CD GLN A 29 0.802 10.308 7.432 1.00 0.00 C ATOM 386 OE1 GLN A 29 1.306 10.929 8.368 1.00 0.00 O ATOM 387 NE2 GLN A 29 -0.317 9.605 7.560 1.00 0.00 N ATOM 0 H GLN A 29 4.364 8.505 5.276 1.00 0.00 H new ATOM 0 HA GLN A 29 3.041 10.810 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.401 10.040 6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.048 11.688 6.400 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.934 11.039 5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.309 9.336 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.700 9.105 6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.794 9.565 8.461 1.00 0.00 H new ATOM 396 N CYS A 30 4.995 12.357 4.240 1.00 0.00 N ATOM 397 CA CYS A 30 6.211 13.161 4.178 1.00 0.00 C ATOM 398 C CYS A 30 5.881 14.649 4.209 1.00 0.00 C ATOM 399 O CYS A 30 4.921 15.095 3.582 1.00 0.00 O ATOM 400 CB CYS A 30 7.003 12.827 2.913 1.00 0.00 C ATOM 401 SG CYS A 30 6.269 13.471 1.392 1.00 0.00 S ATOM 0 H CYS A 30 4.172 12.806 3.838 1.00 0.00 H new ATOM 0 HA CYS A 30 6.819 12.925 5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.013 13.225 3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.094 11.744 2.830 1.00 0.00 H new ATOM 0 HG CYS A 30 5.396 14.388 1.686 1.00 0.00 H new ATOM 407 N GLU A 31 6.683 15.413 4.945 1.00 0.00 N ATOM 408 CA GLU A 31 6.474 16.851 5.059 1.00 0.00 C ATOM 409 C GLU A 31 7.437 17.615 4.154 1.00 0.00 C ATOM 410 O GLU A 31 8.449 17.073 3.708 1.00 0.00 O ATOM 411 CB GLU A 31 6.656 17.302 6.510 1.00 0.00 C ATOM 412 CG GLU A 31 5.828 18.522 6.877 1.00 0.00 C ATOM 413 CD GLU A 31 5.945 18.887 8.344 1.00 0.00 C ATOM 414 OE1 GLU A 31 7.084 19.095 8.814 1.00 0.00 O ATOM 415 OE2 GLU A 31 4.900 18.965 9.022 1.00 0.00 O ATOM 0 H GLU A 31 7.483 15.060 5.471 1.00 0.00 H new ATOM 0 HA GLU A 31 5.454 17.070 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.389 16.479 7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.709 17.523 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.147 19.369 6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.782 18.332 6.636 1.00 0.00 H new ATOM 422 N LEU A 32 7.114 18.875 3.886 1.00 0.00 N ATOM 423 CA LEU A 32 7.949 19.714 3.034 1.00 0.00 C ATOM 424 C LEU A 32 8.111 21.107 3.633 1.00 0.00 C ATOM 425 O LEU A 32 7.361 21.502 4.525 1.00 0.00 O ATOM 426 CB LEU A 32 7.342 19.816 1.633 1.00 0.00 C ATOM 427 CG LEU A 32 7.187 18.499 0.871 1.00 0.00 C ATOM 428 CD1 LEU A 32 6.129 18.631 -0.213 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.518 18.072 0.270 1.00 0.00 C ATOM 0 H LEU A 32 6.280 19.338 4.246 1.00 0.00 H new ATOM 0 HA LEU A 32 8.934 19.252 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.360 20.282 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.962 20.486 1.038 1.00 0.00 H new ATOM 0 HG LEU A 32 6.864 17.730 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.033 17.684 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.173 18.891 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.422 19.413 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.390 17.133 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.869 18.840 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.250 17.936 1.066 1.00 0.00 H new ATOM 441 N SER A 33 9.095 21.849 3.134 1.00 0.00 N ATOM 442 CA SER A 33 9.357 23.199 3.620 1.00 0.00 C ATOM 443 C SER A 33 8.220 24.143 3.242 1.00 0.00 C ATOM 444 O SER A 33 8.025 25.184 3.871 1.00 0.00 O ATOM 445 CB SER A 33 10.678 23.721 3.053 1.00 0.00 C ATOM 446 OG SER A 33 10.619 23.831 1.641 1.00 0.00 O ATOM 0 H SER A 33 9.724 21.538 2.394 1.00 0.00 H new ATOM 0 HA SER A 33 9.427 23.159 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.904 24.695 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.489 23.050 3.335 1.00 0.00 H new ATOM 0 HG SER A 33 10.927 24.721 1.369 1.00 0.00 H new ATOM 452 N LYS A 34 7.470 23.772 2.210 1.00 0.00 N ATOM 453 CA LYS A 34 6.350 24.584 1.747 1.00 0.00 C ATOM 454 C LYS A 34 5.555 23.850 0.672 1.00 0.00 C ATOM 455 O LYS A 34 6.001 22.832 0.141 1.00 0.00 O ATOM 456 CB LYS A 34 6.855 25.921 1.200 1.00 0.00 C ATOM 457 CG LYS A 34 7.762 25.779 -0.010 1.00 0.00 C ATOM 458 CD LYS A 34 7.920 27.100 -0.746 1.00 0.00 C ATOM 459 CE LYS A 34 8.643 26.916 -2.072 1.00 0.00 C ATOM 460 NZ LYS A 34 8.923 28.219 -2.736 1.00 0.00 N ATOM 0 H LYS A 34 7.617 22.914 1.678 1.00 0.00 H new ATOM 0 HA LYS A 34 5.693 24.771 2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.999 26.541 0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.394 26.446 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.741 25.419 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.352 25.030 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.938 27.539 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.474 27.801 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.580 26.385 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.038 26.294 -2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.416 28.051 -3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.027 28.715 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.521 28.803 -2.117 1.00 0.00 H new ATOM 474 N VAL A 35 4.375 24.374 0.354 1.00 0.00 N ATOM 475 CA VAL A 35 3.519 23.770 -0.660 1.00 0.00 C ATOM 476 C VAL A 35 4.222 23.715 -2.012 1.00 0.00 C ATOM 477 O VAL A 35 4.383 24.735 -2.681 1.00 0.00 O ATOM 478 CB VAL A 35 2.197 24.545 -0.812 1.00 0.00 C ATOM 479 CG1 VAL A 35 1.259 23.819 -1.765 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.540 24.748 0.544 1.00 0.00 C ATOM 0 H VAL A 35 3.990 25.215 0.784 1.00 0.00 H new ATOM 0 HA VAL A 35 3.301 22.756 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 35 2.417 25.526 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.330 24.381 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.731 23.731 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.043 22.824 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.607 25.297 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.332 23.778 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.210 25.314 1.192 1.00 0.00 H new ATOM 490 N ALA A 36 4.639 22.517 -2.408 1.00 0.00 N ATOM 491 CA ALA A 36 5.323 22.329 -3.681 1.00 0.00 C ATOM 492 C ALA A 36 4.990 20.969 -4.287 1.00 0.00 C ATOM 493 O ALA A 36 4.794 19.980 -3.582 1.00 0.00 O ATOM 494 CB ALA A 36 6.826 22.474 -3.500 1.00 0.00 C ATOM 0 H ALA A 36 4.515 21.662 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 36 4.976 23.100 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.323 22.331 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.052 23.470 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.181 21.725 -2.792 1.00 0.00 H new ATOM 500 N PRO A 37 4.924 20.918 -5.626 1.00 0.00 N ATOM 501 CA PRO A 37 4.615 19.684 -6.356 1.00 0.00 C ATOM 502 C PRO A 37 5.745 18.664 -6.274 1.00 0.00 C ATOM 503 O PRO A 37 6.914 18.999 -6.467 1.00 0.00 O ATOM 504 CB PRO A 37 4.430 20.163 -7.798 1.00 0.00 C ATOM 505 CG PRO A 37 5.231 21.416 -7.887 1.00 0.00 C ATOM 506 CD PRO A 37 5.147 22.058 -6.530 1.00 0.00 C ATOM 0 HA PRO A 37 3.743 19.175 -5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.781 19.417 -8.511 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.379 20.348 -8.022 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.266 21.200 -8.153 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.836 22.078 -8.657 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.063 22.594 -6.282 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.331 22.779 -6.476 1.00 0.00 H new ATOM 514 N VAL A 38 5.389 17.415 -5.988 1.00 0.00 N ATOM 515 CA VAL A 38 6.373 16.345 -5.882 1.00 0.00 C ATOM 516 C VAL A 38 6.043 15.199 -6.833 1.00 0.00 C ATOM 517 O VAL A 38 5.016 15.219 -7.510 1.00 0.00 O ATOM 518 CB VAL A 38 6.454 15.797 -4.445 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.831 16.904 -3.472 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.136 15.151 -4.046 1.00 0.00 C ATOM 0 H VAL A 38 4.426 17.120 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 38 7.337 16.774 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 38 7.232 15.034 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.883 16.498 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.801 17.316 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.079 17.692 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.211 14.769 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.338 15.891 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.913 14.329 -4.726 1.00 0.00 H new ATOM 530 N GLU A 39 6.921 14.202 -6.876 1.00 0.00 N ATOM 531 CA GLU A 39 6.723 13.048 -7.745 1.00 0.00 C ATOM 532 C GLU A 39 7.287 11.783 -7.105 1.00 0.00 C ATOM 533 O GLU A 39 8.489 11.683 -6.858 1.00 0.00 O ATOM 534 CB GLU A 39 7.385 13.285 -9.104 1.00 0.00 C ATOM 535 CG GLU A 39 7.275 12.100 -10.049 1.00 0.00 C ATOM 536 CD GLU A 39 7.971 12.344 -11.374 1.00 0.00 C ATOM 537 OE1 GLU A 39 9.216 12.256 -11.416 1.00 0.00 O ATOM 538 OE2 GLU A 39 7.270 12.623 -12.369 1.00 0.00 O ATOM 0 H GLU A 39 7.775 14.170 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 39 5.651 12.914 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.930 14.157 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.438 13.520 -8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.706 11.219 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.223 11.881 -10.230 1.00 0.00 H new ATOM 545 N TRP A 40 6.411 10.820 -6.841 1.00 0.00 N ATOM 546 CA TRP A 40 6.821 9.561 -6.230 1.00 0.00 C ATOM 547 C TRP A 40 7.445 8.631 -7.265 1.00 0.00 C ATOM 548 O TRP A 40 6.951 8.513 -8.386 1.00 0.00 O ATOM 549 CB TRP A 40 5.624 8.877 -5.568 1.00 0.00 C ATOM 550 CG TRP A 40 4.957 9.724 -4.526 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.092 10.758 -4.741 1.00 0.00 C ATOM 552 CD2 TRP A 40 5.104 9.609 -3.107 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.692 11.293 -3.541 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.298 10.606 -2.523 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.836 8.760 -2.272 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.206 10.775 -1.144 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.744 8.930 -0.904 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.934 9.930 -0.350 1.00 0.00 C ATOM 0 H TRP A 40 5.413 10.887 -7.040 1.00 0.00 H new ATOM 0 HA TRP A 40 7.570 9.783 -5.470 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.895 8.615 -6.335 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.955 7.944 -5.111 1.00 0.00 H new ATOM 0 HD1 TRP A 40 3.770 11.104 -5.712 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.048 12.075 -3.427 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.462 7.985 -2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.582 11.546 -0.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.307 8.280 -0.250 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.883 10.036 0.724 1.00 0.00 H new ATOM 569 N LYS A 41 8.534 7.972 -6.882 1.00 0.00 N ATOM 570 CA LYS A 41 9.225 7.051 -7.776 1.00 0.00 C ATOM 571 C LYS A 41 9.530 5.733 -7.070 1.00 0.00 C ATOM 572 O LYS A 41 9.866 5.714 -5.886 1.00 0.00 O ATOM 573 CB LYS A 41 10.523 7.680 -8.286 1.00 0.00 C ATOM 574 CG LYS A 41 10.353 8.464 -9.576 1.00 0.00 C ATOM 575 CD LYS A 41 11.613 8.421 -10.425 1.00 0.00 C ATOM 576 CE LYS A 41 11.459 9.248 -11.692 1.00 0.00 C ATOM 577 NZ LYS A 41 12.770 9.755 -12.186 1.00 0.00 N ATOM 0 H LYS A 41 8.957 8.059 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 41 8.570 6.847 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.922 8.342 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.261 6.893 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.517 8.056 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.105 9.500 -9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.457 8.795 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.840 7.388 -10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.989 8.642 -12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.794 10.089 -11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.743 9.834 -13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.959 10.690 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.524 9.095 -11.908 1.00 0.00 H new ATOM 591 N LYS A 42 9.411 4.632 -7.805 1.00 0.00 N ATOM 592 CA LYS A 42 9.676 3.310 -7.252 1.00 0.00 C ATOM 593 C LYS A 42 10.934 2.705 -7.867 1.00 0.00 C ATOM 594 O LYS A 42 11.130 1.491 -7.835 1.00 0.00 O ATOM 595 CB LYS A 42 8.482 2.384 -7.493 1.00 0.00 C ATOM 596 CG LYS A 42 8.584 1.056 -6.763 1.00 0.00 C ATOM 597 CD LYS A 42 7.236 0.359 -6.682 1.00 0.00 C ATOM 598 CE LYS A 42 7.387 -1.099 -6.277 1.00 0.00 C ATOM 599 NZ LYS A 42 8.060 -1.902 -7.335 1.00 0.00 N ATOM 0 H LYS A 42 9.132 4.630 -8.786 1.00 0.00 H new ATOM 0 HA LYS A 42 9.833 3.418 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.570 2.892 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.390 2.195 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.298 0.411 -7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.970 1.221 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.601 0.874 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.735 0.420 -7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.962 -1.161 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.404 -1.522 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.850 -2.910 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.713 -1.605 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.088 -1.752 -7.284 1.00 0.00 H new ATOM 613 N GLY A 43 11.785 3.560 -8.425 1.00 0.00 N ATOM 614 CA GLY A 43 13.014 3.091 -9.038 1.00 0.00 C ATOM 615 C GLY A 43 13.389 3.890 -10.270 1.00 0.00 C ATOM 616 O GLY A 43 13.182 5.102 -10.338 1.00 0.00 O ATOM 0 H GLY A 43 11.645 4.570 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.824 3.149 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.903 2.041 -9.309 1.00 0.00 H new ATOM 620 N PRO A 44 13.958 3.205 -11.274 1.00 0.00 N ATOM 621 CA PRO A 44 14.376 3.839 -12.527 1.00 0.00 C ATOM 622 C PRO A 44 13.190 4.287 -13.374 1.00 0.00 C ATOM 623 O PRO A 44 13.362 4.766 -14.495 1.00 0.00 O ATOM 624 CB PRO A 44 15.155 2.733 -13.242 1.00 0.00 C ATOM 625 CG PRO A 44 14.604 1.464 -12.690 1.00 0.00 C ATOM 626 CD PRO A 44 14.235 1.759 -11.262 1.00 0.00 C ATOM 0 HA PRO A 44 14.958 4.744 -12.351 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.018 2.787 -14.322 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.225 2.816 -13.052 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.733 1.137 -13.258 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.340 0.662 -12.745 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.364 1.185 -10.945 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.046 1.511 -10.578 1.00 0.00 H new ATOM 634 N GLU A 45 11.987 4.129 -12.831 1.00 0.00 N ATOM 635 CA GLU A 45 10.772 4.518 -13.538 1.00 0.00 C ATOM 636 C GLU A 45 10.036 5.623 -12.788 1.00 0.00 C ATOM 637 O GLU A 45 10.327 5.901 -11.624 1.00 0.00 O ATOM 638 CB GLU A 45 9.852 3.308 -13.720 1.00 0.00 C ATOM 639 CG GLU A 45 10.100 2.544 -15.009 1.00 0.00 C ATOM 640 CD GLU A 45 9.782 1.067 -14.882 1.00 0.00 C ATOM 641 OE1 GLU A 45 8.779 0.730 -14.217 1.00 0.00 O ATOM 642 OE2 GLU A 45 10.535 0.247 -15.447 1.00 0.00 O ATOM 0 H GLU A 45 11.828 3.734 -11.904 1.00 0.00 H new ATOM 0 HA GLU A 45 11.059 4.898 -14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.984 2.632 -12.875 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.815 3.644 -13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.493 2.975 -15.805 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.143 2.663 -15.303 1.00 0.00 H new ATOM 649 N THR A 46 9.078 6.252 -13.463 1.00 0.00 N ATOM 650 CA THR A 46 8.300 7.328 -12.862 1.00 0.00 C ATOM 651 C THR A 46 6.835 6.933 -12.717 1.00 0.00 C ATOM 652 O THR A 46 6.248 6.344 -13.626 1.00 0.00 O ATOM 653 CB THR A 46 8.392 8.620 -13.695 1.00 0.00 C ATOM 654 OG1 THR A 46 9.693 8.734 -14.283 1.00 0.00 O ATOM 655 CG2 THR A 46 8.111 9.842 -12.833 1.00 0.00 C ATOM 0 H THR A 46 8.823 6.034 -14.426 1.00 0.00 H new ATOM 0 HA THR A 46 8.723 7.510 -11.874 1.00 0.00 H new ATOM 0 HB THR A 46 7.641 8.571 -14.483 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.742 9.557 -14.812 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.182 10.742 -13.444 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.108 9.767 -12.412 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.841 9.893 -12.025 1.00 0.00 H new ATOM 663 N LEU A 47 6.249 7.261 -11.571 1.00 0.00 N ATOM 664 CA LEU A 47 4.851 6.940 -11.308 1.00 0.00 C ATOM 665 C LEU A 47 3.972 8.179 -11.450 1.00 0.00 C ATOM 666 O LEU A 47 4.460 9.266 -11.761 1.00 0.00 O ATOM 667 CB LEU A 47 4.698 6.351 -9.904 1.00 0.00 C ATOM 668 CG LEU A 47 5.632 5.192 -9.557 1.00 0.00 C ATOM 669 CD1 LEU A 47 5.920 5.167 -8.064 1.00 0.00 C ATOM 670 CD2 LEU A 47 5.031 3.869 -10.008 1.00 0.00 C ATOM 0 H LEU A 47 6.720 7.749 -10.809 1.00 0.00 H new ATOM 0 HA LEU A 47 4.529 6.202 -12.042 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.856 7.149 -9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.669 6.011 -9.785 1.00 0.00 H new ATOM 0 HG LEU A 47 6.574 5.339 -10.086 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.586 4.335 -7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.394 6.103 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.986 5.045 -7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.710 3.055 -9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.075 3.714 -9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.877 3.888 -11.087 1.00 0.00 H new ATOM 682 N ARG A 48 2.675 8.007 -11.220 1.00 0.00 N ATOM 683 CA ARG A 48 1.728 9.112 -11.322 1.00 0.00 C ATOM 684 C ARG A 48 0.563 8.920 -10.356 1.00 0.00 C ATOM 685 O ARG A 48 0.516 7.941 -9.610 1.00 0.00 O ATOM 686 CB ARG A 48 1.203 9.231 -12.754 1.00 0.00 C ATOM 687 CG ARG A 48 2.096 10.059 -13.663 1.00 0.00 C ATOM 688 CD ARG A 48 1.560 10.098 -15.086 1.00 0.00 C ATOM 689 NE ARG A 48 0.590 11.173 -15.276 1.00 0.00 N ATOM 690 CZ ARG A 48 -0.201 11.270 -16.338 1.00 0.00 C ATOM 691 NH1 ARG A 48 -0.138 10.360 -17.301 1.00 0.00 N ATOM 692 NH2 ARG A 48 -1.058 12.278 -16.439 1.00 0.00 N ATOM 0 H ARG A 48 2.255 7.114 -10.962 1.00 0.00 H new ATOM 0 HA ARG A 48 2.250 10.031 -11.056 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.095 8.232 -13.177 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.209 9.677 -12.732 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.172 11.074 -13.274 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.103 9.642 -13.664 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.388 10.230 -15.782 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.093 9.142 -15.324 1.00 0.00 H new ATOM 0 HE ARG A 48 0.516 11.889 -14.553 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.519 9.583 -17.227 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.747 10.437 -18.116 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.110 12.979 -15.700 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.665 12.351 -17.255 1.00 0.00 H new ATOM 706 N ASP A 49 -0.376 9.860 -10.375 1.00 0.00 N ATOM 707 CA ASP A 49 -1.541 9.794 -9.501 1.00 0.00 C ATOM 708 C ASP A 49 -2.808 9.515 -10.304 1.00 0.00 C ATOM 709 O ASP A 49 -3.213 10.320 -11.142 1.00 0.00 O ATOM 710 CB ASP A 49 -1.695 11.101 -8.721 1.00 0.00 C ATOM 711 CG ASP A 49 -2.247 12.224 -9.576 1.00 0.00 C ATOM 712 OD1 ASP A 49 -3.481 12.282 -9.756 1.00 0.00 O ATOM 713 OD2 ASP A 49 -1.444 13.046 -10.066 1.00 0.00 O ATOM 0 H ASP A 49 -0.353 10.676 -10.986 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.390 8.975 -8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.357 10.937 -7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.726 11.397 -8.319 1.00 0.00 H new ATOM 756 N TYR A 53 -2.037 3.558 -8.177 1.00 0.00 N ATOM 757 CA TYR A 53 -1.278 4.449 -7.307 1.00 0.00 C ATOM 758 C TYR A 53 -2.090 5.693 -6.961 1.00 0.00 C ATOM 759 O TYR A 53 -2.363 6.529 -7.821 1.00 0.00 O ATOM 760 CB TYR A 53 0.036 4.854 -7.978 1.00 0.00 C ATOM 761 CG TYR A 53 1.038 3.726 -8.077 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.782 3.333 -6.971 1.00 0.00 C ATOM 763 CD2 TYR A 53 1.241 3.054 -9.276 1.00 0.00 C ATOM 764 CE1 TYR A 53 2.700 2.304 -7.057 1.00 0.00 C ATOM 765 CE2 TYR A 53 2.155 2.023 -9.371 1.00 0.00 C ATOM 766 CZ TYR A 53 2.882 1.651 -8.259 1.00 0.00 C ATOM 767 OH TYR A 53 3.794 0.625 -8.350 1.00 0.00 O ATOM 0 HA TYR A 53 -1.057 3.913 -6.384 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.177 5.228 -8.979 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.482 5.677 -7.419 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.640 3.841 -6.028 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.674 3.343 -10.149 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.272 2.012 -6.188 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.300 1.511 -10.311 1.00 0.00 H new ATOM 0 HH TYR A 53 3.799 0.272 -9.264 1.00 0.00 H new ATOM 777 N SER A 54 -2.472 5.808 -5.693 1.00 0.00 N ATOM 778 CA SER A 54 -3.256 6.948 -5.231 1.00 0.00 C ATOM 779 C SER A 54 -2.481 7.754 -4.192 1.00 0.00 C ATOM 780 O SER A 54 -1.982 7.206 -3.209 1.00 0.00 O ATOM 781 CB SER A 54 -4.584 6.474 -4.639 1.00 0.00 C ATOM 782 OG SER A 54 -5.595 6.421 -5.631 1.00 0.00 O ATOM 0 H SER A 54 -2.251 5.126 -4.967 1.00 0.00 H new ATOM 0 HA SER A 54 -3.458 7.591 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.456 5.488 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.890 7.148 -3.839 1.00 0.00 H new ATOM 0 HG SER A 54 -6.433 6.114 -5.227 1.00 0.00 H new ATOM 788 N LEU A 55 -2.385 9.060 -4.418 1.00 0.00 N ATOM 789 CA LEU A 55 -1.672 9.944 -3.503 1.00 0.00 C ATOM 790 C LEU A 55 -2.444 11.242 -3.288 1.00 0.00 C ATOM 791 O LEU A 55 -3.148 11.714 -4.181 1.00 0.00 O ATOM 792 CB LEU A 55 -0.275 10.252 -4.044 1.00 0.00 C ATOM 793 CG LEU A 55 -0.131 10.253 -5.566 1.00 0.00 C ATOM 794 CD1 LEU A 55 1.059 11.101 -5.989 1.00 0.00 C ATOM 795 CD2 LEU A 55 0.013 8.831 -6.090 1.00 0.00 C ATOM 0 H LEU A 55 -2.792 9.530 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.579 9.435 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.031 11.229 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.421 9.521 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.033 10.688 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.146 11.090 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.915 12.126 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.970 10.696 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.114 8.852 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.898 8.370 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.870 8.252 -5.819 1.00 0.00 H new ATOM 807 N LYS A 56 -2.305 11.816 -2.098 1.00 0.00 N ATOM 808 CA LYS A 56 -2.986 13.062 -1.765 1.00 0.00 C ATOM 809 C LYS A 56 -1.986 14.128 -1.326 1.00 0.00 C ATOM 810 O LYS A 56 -0.892 13.810 -0.861 1.00 0.00 O ATOM 811 CB LYS A 56 -4.014 12.825 -0.656 1.00 0.00 C ATOM 812 CG LYS A 56 -4.929 14.013 -0.412 1.00 0.00 C ATOM 813 CD LYS A 56 -6.284 13.573 0.118 1.00 0.00 C ATOM 814 CE LYS A 56 -6.246 13.343 1.621 1.00 0.00 C ATOM 815 NZ LYS A 56 -7.475 12.658 2.108 1.00 0.00 N ATOM 0 H LYS A 56 -1.727 11.438 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.500 13.416 -2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.620 11.957 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.490 12.585 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.462 14.693 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.063 14.567 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.031 14.331 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.592 12.656 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.371 12.744 1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.136 14.299 2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.411 12.519 3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.308 13.241 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.566 11.734 1.639 1.00 0.00 H new ATOM 829 N GLN A 57 -2.371 15.391 -1.476 1.00 0.00 N ATOM 830 CA GLN A 57 -1.508 16.502 -1.094 1.00 0.00 C ATOM 831 C GLN A 57 -2.234 17.457 -0.151 1.00 0.00 C ATOM 832 O GLN A 57 -3.128 18.194 -0.566 1.00 0.00 O ATOM 833 CB GLN A 57 -1.033 17.258 -2.336 1.00 0.00 C ATOM 834 CG GLN A 57 -0.262 18.529 -2.018 1.00 0.00 C ATOM 835 CD GLN A 57 0.696 18.923 -3.125 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.310 19.019 -4.291 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.953 19.154 -2.766 1.00 0.00 N ATOM 0 H GLN A 57 -3.274 15.670 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.643 16.093 -0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.401 16.600 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.898 17.512 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.966 19.343 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.296 18.389 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.229 19.063 -1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.643 19.423 -3.468 1.00 0.00 H new ATOM 846 N ASP A 58 -1.844 17.436 1.119 1.00 0.00 N ATOM 847 CA ASP A 58 -2.457 18.300 2.121 1.00 0.00 C ATOM 848 C ASP A 58 -1.517 19.438 2.506 1.00 0.00 C ATOM 849 O ASP A 58 -0.776 19.340 3.483 1.00 0.00 O ATOM 850 CB ASP A 58 -2.833 17.490 3.362 1.00 0.00 C ATOM 851 CG ASP A 58 -4.183 16.814 3.226 1.00 0.00 C ATOM 852 OD1 ASP A 58 -5.202 17.451 3.564 1.00 0.00 O ATOM 853 OD2 ASP A 58 -4.221 15.647 2.781 1.00 0.00 O ATOM 0 H ASP A 58 -1.106 16.830 1.479 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.361 18.730 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.069 16.735 3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.845 18.147 4.231 1.00 0.00 H new ATOM 858 N GLY A 59 -1.553 20.517 1.730 1.00 0.00 N ATOM 859 CA GLY A 59 -0.698 21.657 2.006 1.00 0.00 C ATOM 860 C GLY A 59 0.771 21.344 1.803 1.00 0.00 C ATOM 861 O GLY A 59 1.252 21.286 0.671 1.00 0.00 O ATOM 0 H GLY A 59 -2.158 20.622 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.982 22.486 1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.857 21.986 3.033 1.00 0.00 H new ATOM 865 N THR A 60 1.489 21.141 2.904 1.00 0.00 N ATOM 866 CA THR A 60 2.912 20.834 2.843 1.00 0.00 C ATOM 867 C THR A 60 3.169 19.357 3.117 1.00 0.00 C ATOM 868 O THR A 60 4.316 18.929 3.241 1.00 0.00 O ATOM 869 CB THR A 60 3.713 21.679 3.852 1.00 0.00 C ATOM 870 OG1 THR A 60 3.126 21.573 5.154 1.00 0.00 O ATOM 871 CG2 THR A 60 3.751 23.139 3.425 1.00 0.00 C ATOM 0 H THR A 60 1.107 21.184 3.849 1.00 0.00 H new ATOM 0 HA THR A 60 3.244 21.076 1.833 1.00 0.00 H new ATOM 0 HB THR A 60 4.734 21.299 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.642 22.111 5.790 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.322 23.716 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.224 23.220 2.446 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.734 23.529 3.370 1.00 0.00 H new ATOM 879 N ARG A 61 2.093 18.582 3.212 1.00 0.00 N ATOM 880 CA ARG A 61 2.203 17.152 3.472 1.00 0.00 C ATOM 881 C ARG A 61 1.631 16.342 2.312 1.00 0.00 C ATOM 882 O ARG A 61 0.804 16.837 1.545 1.00 0.00 O ATOM 883 CB ARG A 61 1.474 16.791 4.768 1.00 0.00 C ATOM 884 CG ARG A 61 2.238 17.176 6.024 1.00 0.00 C ATOM 885 CD ARG A 61 1.305 17.355 7.211 1.00 0.00 C ATOM 886 NE ARG A 61 0.823 18.730 7.325 1.00 0.00 N ATOM 887 CZ ARG A 61 -0.174 19.095 8.124 1.00 0.00 C ATOM 888 NH1 ARG A 61 -0.791 18.193 8.874 1.00 0.00 N ATOM 889 NH2 ARG A 61 -0.554 20.365 8.173 1.00 0.00 N ATOM 0 H ARG A 61 1.136 18.921 3.113 1.00 0.00 H new ATOM 0 HA ARG A 61 3.260 16.907 3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.502 17.285 4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.286 15.717 4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.976 16.407 6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.786 18.101 5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.455 16.680 7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.826 17.076 8.127 1.00 0.00 H new ATOM 0 HE ARG A 61 1.277 19.448 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.501 17.216 8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.556 18.476 9.486 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.081 21.061 7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.319 20.645 8.786 1.00 0.00 H new ATOM 903 N CYS A 62 2.078 15.097 2.189 1.00 0.00 N ATOM 904 CA CYS A 62 1.612 14.220 1.122 1.00 0.00 C ATOM 905 C CYS A 62 1.504 12.779 1.611 1.00 0.00 C ATOM 906 O CYS A 62 2.359 12.301 2.355 1.00 0.00 O ATOM 907 CB CYS A 62 2.558 14.295 -0.078 1.00 0.00 C ATOM 908 SG CYS A 62 2.691 15.942 -0.811 1.00 0.00 S ATOM 0 H CYS A 62 2.762 14.673 2.815 1.00 0.00 H new ATOM 0 HA CYS A 62 0.621 14.556 0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.550 13.967 0.234 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.216 13.596 -0.841 1.00 0.00 H new ATOM 0 HG CYS A 62 1.863 16.749 -0.217 1.00 0.00 H new ATOM 914 N GLU A 63 0.447 12.093 1.187 1.00 0.00 N ATOM 915 CA GLU A 63 0.227 10.708 1.584 1.00 0.00 C ATOM 916 C GLU A 63 0.126 9.800 0.362 1.00 0.00 C ATOM 917 O GLU A 63 -0.792 9.932 -0.449 1.00 0.00 O ATOM 918 CB GLU A 63 -1.046 10.591 2.426 1.00 0.00 C ATOM 919 CG GLU A 63 -1.344 9.174 2.886 1.00 0.00 C ATOM 920 CD GLU A 63 -2.627 9.078 3.687 1.00 0.00 C ATOM 921 OE1 GLU A 63 -2.573 9.275 4.920 1.00 0.00 O ATOM 922 OE2 GLU A 63 -3.686 8.807 3.083 1.00 0.00 O ATOM 0 H GLU A 63 -0.270 12.474 0.569 1.00 0.00 H new ATOM 0 HA GLU A 63 1.081 10.389 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.954 11.236 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.891 10.961 1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.414 8.521 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.514 8.811 3.492 1.00 0.00 H new ATOM 929 N LEU A 64 1.075 8.880 0.235 1.00 0.00 N ATOM 930 CA LEU A 64 1.095 7.950 -0.889 1.00 0.00 C ATOM 931 C LEU A 64 0.529 6.593 -0.483 1.00 0.00 C ATOM 932 O LEU A 64 1.081 5.914 0.382 1.00 0.00 O ATOM 933 CB LEU A 64 2.521 7.784 -1.414 1.00 0.00 C ATOM 934 CG LEU A 64 2.726 6.696 -2.469 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.975 7.043 -3.745 1.00 0.00 C ATOM 936 CD2 LEU A 64 4.208 6.503 -2.756 1.00 0.00 C ATOM 0 H LEU A 64 1.842 8.758 0.897 1.00 0.00 H new ATOM 0 HA LEU A 64 0.469 8.362 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.845 8.736 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.175 7.570 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 64 2.327 5.759 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.132 6.258 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.910 7.130 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.344 7.991 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.334 5.725 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.632 7.437 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.721 6.208 -1.840 1.00 0.00 H new ATOM 948 N GLN A 65 -0.574 6.204 -1.114 1.00 0.00 N ATOM 949 CA GLN A 65 -1.213 4.927 -0.819 1.00 0.00 C ATOM 950 C GLN A 65 -1.068 3.962 -1.991 1.00 0.00 C ATOM 951 O GLN A 65 -1.412 4.292 -3.126 1.00 0.00 O ATOM 952 CB GLN A 65 -2.694 5.137 -0.496 1.00 0.00 C ATOM 953 CG GLN A 65 -2.952 5.521 0.952 1.00 0.00 C ATOM 954 CD GLN A 65 -4.400 5.325 1.358 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.154 4.617 0.690 1.00 0.00 O ATOM 956 NE2 GLN A 65 -4.796 5.953 2.459 1.00 0.00 N ATOM 0 H GLN A 65 -1.044 6.755 -1.833 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.717 4.493 0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.092 5.916 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.240 4.222 -0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.312 4.924 1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.674 6.564 1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.137 6.530 2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.759 5.858 2.782 1.00 0.00 H new ATOM 965 N ILE A 66 -0.555 2.769 -1.708 1.00 0.00 N ATOM 966 CA ILE A 66 -0.365 1.756 -2.739 1.00 0.00 C ATOM 967 C ILE A 66 -1.439 0.677 -2.653 1.00 0.00 C ATOM 968 O ILE A 66 -1.390 -0.195 -1.785 1.00 0.00 O ATOM 969 CB ILE A 66 1.022 1.095 -2.629 1.00 0.00 C ATOM 970 CG1 ILE A 66 2.124 2.153 -2.719 1.00 0.00 C ATOM 971 CG2 ILE A 66 1.196 0.046 -3.717 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.448 1.696 -2.147 1.00 0.00 C ATOM 0 H ILE A 66 -0.264 2.481 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.441 2.265 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 66 1.098 0.601 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.265 2.431 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.800 3.050 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.181 -0.412 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.428 -0.720 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.104 0.518 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.182 2.496 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.322 1.445 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.795 0.817 -2.690 1.00 0.00 H new ATOM 984 N HIS A 67 -2.408 0.740 -3.561 1.00 0.00 N ATOM 985 CA HIS A 67 -3.493 -0.234 -3.590 1.00 0.00 C ATOM 986 C HIS A 67 -3.030 -1.544 -4.221 1.00 0.00 C ATOM 987 O HIS A 67 -2.279 -1.544 -5.196 1.00 0.00 O ATOM 988 CB HIS A 67 -4.687 0.325 -4.365 1.00 0.00 C ATOM 989 CG HIS A 67 -5.249 1.582 -3.775 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.407 1.609 -3.027 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.804 2.859 -3.825 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.651 2.850 -2.643 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.693 3.628 -3.114 1.00 0.00 N ATOM 0 H HIS A 67 -2.464 1.455 -4.286 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.797 -0.434 -2.563 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.383 0.520 -5.393 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.471 -0.431 -4.403 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -6.985 0.798 -2.805 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.915 3.208 -4.330 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.491 3.173 -2.046 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.483 -2.658 -3.657 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.116 -3.975 -4.164 1.00 0.00 C ATOM 1004 C ASP A 68 -1.637 -4.257 -3.923 1.00 0.00 C ATOM 1005 O ASP A 68 -0.922 -4.697 -4.826 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.431 -4.077 -5.657 1.00 0.00 C ATOM 1007 CG ASP A 68 -3.611 -5.511 -6.115 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -4.750 -6.018 -6.042 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -2.613 -6.126 -6.545 1.00 0.00 O ATOM 0 H ASP A 68 -4.105 -2.675 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.702 -4.720 -3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.339 -3.513 -5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.625 -3.615 -6.228 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.182 -4.001 -2.702 1.00 0.00 N ATOM 1015 CA LEU A 69 0.214 -4.226 -2.342 1.00 0.00 C ATOM 1016 C LEU A 69 0.665 -5.623 -2.757 1.00 0.00 C ATOM 1017 O LEU A 69 -0.155 -6.472 -3.108 1.00 0.00 O ATOM 1018 CB LEU A 69 0.409 -4.041 -0.836 1.00 0.00 C ATOM 1019 CG LEU A 69 0.720 -2.618 -0.370 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.677 -2.533 1.148 1.00 0.00 C ATOM 1021 CD2 LEU A 69 2.076 -2.169 -0.893 1.00 0.00 C ATOM 0 H LEU A 69 -1.759 -3.637 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 69 0.823 -3.495 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.495 -4.379 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.220 -4.694 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.041 -1.950 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.901 -1.513 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.316 -2.811 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.416 -3.213 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.280 -1.154 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.850 -2.840 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.071 -2.191 -1.983 1.00 0.00 H new ATOM 1033 N SER A 70 1.973 -5.855 -2.711 1.00 0.00 N ATOM 1034 CA SER A 70 2.533 -7.149 -3.083 1.00 0.00 C ATOM 1035 C SER A 70 3.977 -7.272 -2.608 1.00 0.00 C ATOM 1036 O SER A 70 4.684 -6.274 -2.466 1.00 0.00 O ATOM 1037 CB SER A 70 2.464 -7.341 -4.599 1.00 0.00 C ATOM 1038 OG SER A 70 2.339 -8.712 -4.935 1.00 0.00 O ATOM 0 H SER A 70 2.665 -5.164 -2.420 1.00 0.00 H new ATOM 0 HA SER A 70 1.942 -7.926 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.616 -6.786 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.361 -6.930 -5.062 1.00 0.00 H new ATOM 0 HG SER A 70 2.295 -8.807 -5.909 1.00 0.00 H new ATOM 1044 N VAL A 71 4.410 -8.505 -2.365 1.00 0.00 N ATOM 1045 CA VAL A 71 5.771 -8.762 -1.907 1.00 0.00 C ATOM 1046 C VAL A 71 6.793 -8.096 -2.821 1.00 0.00 C ATOM 1047 O VAL A 71 7.871 -7.699 -2.379 1.00 0.00 O ATOM 1048 CB VAL A 71 6.065 -10.272 -1.840 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.373 -10.898 -0.639 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.636 -10.956 -3.129 1.00 0.00 C ATOM 0 H VAL A 71 3.838 -9.342 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 71 5.853 -8.339 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 71 7.140 -10.410 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.592 -11.965 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.734 -10.427 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.296 -10.751 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.851 -12.023 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.566 -10.810 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.183 -10.526 -3.968 1.00 0.00 H new ATOM 1060 N ALA A 72 6.446 -7.976 -4.099 1.00 0.00 N ATOM 1061 CA ALA A 72 7.332 -7.355 -5.076 1.00 0.00 C ATOM 1062 C ALA A 72 7.441 -5.852 -4.842 1.00 0.00 C ATOM 1063 O ALA A 72 8.490 -5.252 -5.077 1.00 0.00 O ATOM 1064 CB ALA A 72 6.841 -7.638 -6.488 1.00 0.00 C ATOM 0 H ALA A 72 5.558 -8.301 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 72 8.325 -7.787 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.512 -7.168 -7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.823 -8.715 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.836 -7.234 -6.612 1.00 0.00 H new ATOM 1070 N ASP A 73 6.351 -5.250 -4.379 1.00 0.00 N ATOM 1071 CA ASP A 73 6.324 -3.817 -4.114 1.00 0.00 C ATOM 1072 C ASP A 73 7.305 -3.451 -3.004 1.00 0.00 C ATOM 1073 O ASP A 73 7.935 -2.395 -3.042 1.00 0.00 O ATOM 1074 CB ASP A 73 4.911 -3.374 -3.728 1.00 0.00 C ATOM 1075 CG ASP A 73 3.970 -3.343 -4.917 1.00 0.00 C ATOM 1076 OD1 ASP A 73 4.085 -4.231 -5.787 1.00 0.00 O ATOM 1077 OD2 ASP A 73 3.120 -2.431 -4.977 1.00 0.00 O ATOM 0 H ASP A 73 5.475 -5.732 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 73 6.623 -3.299 -5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.515 -4.052 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.954 -2.383 -3.276 1.00 0.00 H new ATOM 1082 N ALA A 74 7.428 -4.332 -2.016 1.00 0.00 N ATOM 1083 CA ALA A 74 8.333 -4.102 -0.897 1.00 0.00 C ATOM 1084 C ALA A 74 9.733 -3.748 -1.386 1.00 0.00 C ATOM 1085 O ALA A 74 10.505 -4.622 -1.776 1.00 0.00 O ATOM 1086 CB ALA A 74 8.381 -5.328 0.003 1.00 0.00 C ATOM 0 H ALA A 74 6.912 -5.211 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 74 7.953 -3.257 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.061 -5.142 0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.383 -5.535 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.734 -6.186 -0.569 1.00 0.00 H new ATOM 1092 N GLY A 75 10.054 -2.457 -1.363 1.00 0.00 N ATOM 1093 CA GLY A 75 11.361 -2.010 -1.807 1.00 0.00 C ATOM 1094 C GLY A 75 11.735 -0.656 -1.239 1.00 0.00 C ATOM 1095 O GLY A 75 11.809 -0.485 -0.023 1.00 0.00 O ATOM 0 H GLY A 75 9.432 -1.714 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.112 -2.744 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.374 -1.960 -2.896 1.00 0.00 H new ATOM 1099 N GLU A 76 11.972 0.310 -2.122 1.00 0.00 N ATOM 1100 CA GLU A 76 12.343 1.655 -1.700 1.00 0.00 C ATOM 1101 C GLU A 76 11.650 2.706 -2.563 1.00 0.00 C ATOM 1102 O GLU A 76 11.848 2.758 -3.777 1.00 0.00 O ATOM 1103 CB GLU A 76 13.860 1.838 -1.776 1.00 0.00 C ATOM 1104 CG GLU A 76 14.366 3.054 -1.018 1.00 0.00 C ATOM 1105 CD GLU A 76 15.871 3.044 -0.836 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.582 3.522 -1.745 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.338 2.558 0.215 1.00 0.00 O ATOM 0 H GLU A 76 11.914 0.186 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 76 12.020 1.786 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.345 0.946 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.155 1.924 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.075 3.958 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.886 3.094 -0.040 1.00 0.00 H new ATOM 1114 N TYR A 77 10.836 3.541 -1.927 1.00 0.00 N ATOM 1115 CA TYR A 77 10.110 4.589 -2.635 1.00 0.00 C ATOM 1116 C TYR A 77 10.739 5.955 -2.379 1.00 0.00 C ATOM 1117 O TYR A 77 10.798 6.421 -1.241 1.00 0.00 O ATOM 1118 CB TYR A 77 8.642 4.602 -2.205 1.00 0.00 C ATOM 1119 CG TYR A 77 7.870 3.382 -2.651 1.00 0.00 C ATOM 1120 CD1 TYR A 77 8.026 2.162 -2.004 1.00 0.00 C ATOM 1121 CD2 TYR A 77 6.984 3.447 -3.720 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.323 1.043 -2.409 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.276 2.335 -4.130 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.449 1.135 -3.472 1.00 0.00 C ATOM 1125 OH TYR A 77 5.746 0.024 -3.878 1.00 0.00 O ATOM 0 H TYR A 77 10.662 3.513 -0.922 1.00 0.00 H new ATOM 0 HA TYR A 77 10.167 4.377 -3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.591 4.677 -1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.162 5.493 -2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.708 2.087 -1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.847 4.384 -4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.457 0.102 -1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.590 2.404 -4.962 1.00 0.00 H new ATOM 0 HH TYR A 77 5.011 0.299 -4.465 1.00 0.00 H new ATOM 1135 N SER A 78 11.207 6.593 -3.447 1.00 0.00 N ATOM 1136 CA SER A 78 11.835 7.905 -3.340 1.00 0.00 C ATOM 1137 C SER A 78 10.897 8.999 -3.842 1.00 0.00 C ATOM 1138 O SER A 78 10.155 8.802 -4.805 1.00 0.00 O ATOM 1139 CB SER A 78 13.142 7.935 -4.134 1.00 0.00 C ATOM 1140 OG SER A 78 13.966 6.831 -3.802 1.00 0.00 O ATOM 0 H SER A 78 11.163 6.223 -4.396 1.00 0.00 H new ATOM 0 HA SER A 78 12.053 8.091 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.923 7.921 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.674 8.864 -3.930 1.00 0.00 H new ATOM 0 HG SER A 78 14.794 6.872 -4.324 1.00 0.00 H new ATOM 1146 N CYS A 79 10.936 10.151 -3.182 1.00 0.00 N ATOM 1147 CA CYS A 79 10.089 11.277 -3.560 1.00 0.00 C ATOM 1148 C CYS A 79 10.932 12.506 -3.886 1.00 0.00 C ATOM 1149 O CYS A 79 11.627 13.040 -3.022 1.00 0.00 O ATOM 1150 CB CYS A 79 9.105 11.602 -2.435 1.00 0.00 C ATOM 1151 SG CYS A 79 7.576 12.386 -2.996 1.00 0.00 S ATOM 0 H CYS A 79 11.544 10.330 -2.383 1.00 0.00 H new ATOM 0 HA CYS A 79 9.529 10.996 -4.452 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.856 10.681 -1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.595 12.259 -1.716 1.00 0.00 H new ATOM 0 HG CYS A 79 6.605 11.523 -2.952 1.00 0.00 H new ATOM 1157 N MET A 80 10.865 12.948 -5.137 1.00 0.00 N ATOM 1158 CA MET A 80 11.623 14.114 -5.577 1.00 0.00 C ATOM 1159 C MET A 80 10.775 15.378 -5.488 1.00 0.00 C ATOM 1160 O MET A 80 9.705 15.463 -6.093 1.00 0.00 O ATOM 1161 CB MET A 80 12.118 13.916 -7.011 1.00 0.00 C ATOM 1162 CG MET A 80 12.962 12.666 -7.196 1.00 0.00 C ATOM 1163 SD MET A 80 13.763 12.601 -8.810 1.00 0.00 S ATOM 1164 CE MET A 80 14.170 10.860 -8.917 1.00 0.00 C ATOM 0 H MET A 80 10.294 12.517 -5.864 1.00 0.00 H new ATOM 0 HA MET A 80 12.483 14.228 -4.917 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.259 13.866 -7.680 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.703 14.786 -7.308 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.722 12.627 -6.416 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.332 11.785 -7.072 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.058 10.523 -9.948 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.200 10.707 -8.594 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.500 10.289 -8.274 1.00 0.00 H new ATOM 1174 N CYS A 81 11.258 16.358 -4.732 1.00 0.00 N ATOM 1175 CA CYS A 81 10.543 17.618 -4.564 1.00 0.00 C ATOM 1176 C CYS A 81 11.456 18.805 -4.855 1.00 0.00 C ATOM 1177 O CYS A 81 12.181 19.273 -3.978 1.00 0.00 O ATOM 1178 CB CYS A 81 9.983 17.725 -3.146 1.00 0.00 C ATOM 1179 SG CYS A 81 9.206 19.316 -2.777 1.00 0.00 S ATOM 0 H CYS A 81 12.142 16.304 -4.226 1.00 0.00 H new ATOM 0 HA CYS A 81 9.717 17.636 -5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.251 16.932 -2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 81 10.790 17.553 -2.434 1.00 0.00 H new ATOM 0 HG CYS A 81 9.942 19.973 -1.930 1.00 0.00 H new ATOM 1185 N GLY A 82 11.417 19.286 -6.094 1.00 0.00 N ATOM 1186 CA GLY A 82 12.247 20.412 -6.479 1.00 0.00 C ATOM 1187 C GLY A 82 13.696 20.019 -6.690 1.00 0.00 C ATOM 1188 O GLY A 82 14.136 19.838 -7.825 1.00 0.00 O ATOM 0 H GLY A 82 10.825 18.916 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.856 20.851 -7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.191 21.181 -5.709 1.00 0.00 H new ATOM 1192 N GLN A 83 14.438 19.889 -5.596 1.00 0.00 N ATOM 1193 CA GLN A 83 15.846 19.518 -5.668 1.00 0.00 C ATOM 1194 C GLN A 83 16.167 18.403 -4.677 1.00 0.00 C ATOM 1195 O GLN A 83 16.896 17.465 -4.999 1.00 0.00 O ATOM 1196 CB GLN A 83 16.731 20.734 -5.389 1.00 0.00 C ATOM 1197 CG GLN A 83 18.219 20.438 -5.482 1.00 0.00 C ATOM 1198 CD GLN A 83 18.677 20.190 -6.906 1.00 0.00 C ATOM 1199 OE1 GLN A 83 18.546 21.055 -7.772 1.00 0.00 O ATOM 1200 NE2 GLN A 83 19.219 19.004 -7.156 1.00 0.00 N ATOM 0 H GLN A 83 14.088 20.035 -4.649 1.00 0.00 H new ATOM 0 HA GLN A 83 16.048 19.154 -6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.481 21.525 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.507 21.115 -4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.779 21.275 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.451 19.564 -4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.308 18.316 -6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.546 18.781 -8.096 1.00 0.00 H new ATOM 1209 N GLU A 84 15.618 18.513 -3.472 1.00 0.00 N ATOM 1210 CA GLU A 84 15.847 17.514 -2.435 1.00 0.00 C ATOM 1211 C GLU A 84 15.156 16.199 -2.784 1.00 0.00 C ATOM 1212 O GLU A 84 14.379 16.127 -3.736 1.00 0.00 O ATOM 1213 CB GLU A 84 15.342 18.025 -1.083 1.00 0.00 C ATOM 1214 CG GLU A 84 16.338 18.913 -0.357 1.00 0.00 C ATOM 1215 CD GLU A 84 16.937 19.975 -1.258 1.00 0.00 C ATOM 1216 OE1 GLU A 84 16.163 20.739 -1.873 1.00 0.00 O ATOM 1217 OE2 GLU A 84 18.181 20.044 -1.349 1.00 0.00 O ATOM 0 H GLU A 84 15.012 19.283 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 84 16.920 17.335 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.417 18.581 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.099 17.172 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.843 19.394 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.138 18.296 0.053 1.00 0.00 H new ATOM 1224 N ARG A 85 15.447 15.161 -2.006 1.00 0.00 N ATOM 1225 CA ARG A 85 14.856 13.847 -2.234 1.00 0.00 C ATOM 1226 C ARG A 85 14.825 13.034 -0.943 1.00 0.00 C ATOM 1227 O ARG A 85 15.633 13.251 -0.040 1.00 0.00 O ATOM 1228 CB ARG A 85 15.640 13.091 -3.307 1.00 0.00 C ATOM 1229 CG ARG A 85 15.025 11.752 -3.682 1.00 0.00 C ATOM 1230 CD ARG A 85 15.860 11.028 -4.726 1.00 0.00 C ATOM 1231 NE ARG A 85 15.916 11.761 -5.987 1.00 0.00 N ATOM 1232 CZ ARG A 85 16.810 12.709 -6.247 1.00 0.00 C ATOM 1233 NH1 ARG A 85 17.717 13.037 -5.338 1.00 0.00 N ATOM 1234 NH2 ARG A 85 16.797 13.331 -7.419 1.00 0.00 N ATOM 0 H ARG A 85 16.087 15.204 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 85 13.831 13.991 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.709 13.712 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.658 12.927 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.935 11.130 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.017 11.908 -4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.871 10.884 -4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.441 10.037 -4.901 1.00 0.00 H new ATOM 0 HE ARG A 85 15.231 11.533 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.730 12.561 -4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.402 13.765 -5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.100 13.082 -8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.484 14.059 -7.618 1.00 0.00 H new ATOM 1248 N THR A 86 13.886 12.097 -0.863 1.00 0.00 N ATOM 1249 CA THR A 86 13.748 11.252 0.317 1.00 0.00 C ATOM 1250 C THR A 86 13.220 9.871 -0.054 1.00 0.00 C ATOM 1251 O THR A 86 12.314 9.743 -0.878 1.00 0.00 O ATOM 1252 CB THR A 86 12.805 11.888 1.356 1.00 0.00 C ATOM 1253 OG1 THR A 86 12.744 11.069 2.528 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.407 12.065 0.781 1.00 0.00 C ATOM 0 H THR A 86 13.209 11.904 -1.601 1.00 0.00 H new ATOM 0 HA THR A 86 14.742 11.152 0.752 1.00 0.00 H new ATOM 0 HB THR A 86 13.199 12.869 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.200 11.522 3.268 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.759 12.516 1.533 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.453 12.713 -0.094 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.007 11.093 0.492 1.00 0.00 H new ATOM 1262 N SER A 87 13.790 8.840 0.560 1.00 0.00 N ATOM 1263 CA SER A 87 13.378 7.467 0.292 1.00 0.00 C ATOM 1264 C SER A 87 12.821 6.811 1.552 1.00 0.00 C ATOM 1265 O SER A 87 13.208 7.156 2.668 1.00 0.00 O ATOM 1266 CB SER A 87 14.559 6.653 -0.241 1.00 0.00 C ATOM 1267 OG SER A 87 15.169 7.301 -1.344 1.00 0.00 O ATOM 0 H SER A 87 14.539 8.929 1.247 1.00 0.00 H new ATOM 0 HA SER A 87 12.592 7.490 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.293 6.510 0.552 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.216 5.663 -0.541 1.00 0.00 H new ATOM 0 HG SER A 87 14.691 7.066 -2.167 1.00 0.00 H new ATOM 1273 N ALA A 88 11.909 5.863 1.363 1.00 0.00 N ATOM 1274 CA ALA A 88 11.299 5.156 2.483 1.00 0.00 C ATOM 1275 C ALA A 88 11.159 3.668 2.182 1.00 0.00 C ATOM 1276 O ALA A 88 10.477 3.276 1.235 1.00 0.00 O ATOM 1277 CB ALA A 88 9.942 5.760 2.812 1.00 0.00 C ATOM 0 H ALA A 88 11.576 5.567 0.445 1.00 0.00 H new ATOM 0 HA ALA A 88 11.952 5.265 3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.498 5.223 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.066 6.810 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.288 5.681 1.943 1.00 0.00 H new ATOM 1283 N THR A 89 11.811 2.841 2.994 1.00 0.00 N ATOM 1284 CA THR A 89 11.761 1.395 2.814 1.00 0.00 C ATOM 1285 C THR A 89 10.434 0.826 3.304 1.00 0.00 C ATOM 1286 O THR A 89 10.147 0.838 4.502 1.00 0.00 O ATOM 1287 CB THR A 89 12.913 0.696 3.558 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.169 1.244 3.142 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.897 -0.802 3.296 1.00 0.00 C ATOM 0 H THR A 89 12.380 3.148 3.783 1.00 0.00 H new ATOM 0 HA THR A 89 11.862 1.206 1.745 1.00 0.00 H new ATOM 0 HB THR A 89 12.780 0.863 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.897 0.795 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.720 -1.274 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.952 -1.222 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 89 13.008 -0.986 2.227 1.00 0.00 H new ATOM 1297 N LEU A 90 9.629 0.327 2.373 1.00 0.00 N ATOM 1298 CA LEU A 90 8.332 -0.249 2.711 1.00 0.00 C ATOM 1299 C LEU A 90 8.447 -1.752 2.941 1.00 0.00 C ATOM 1300 O LEU A 90 9.253 -2.430 2.301 1.00 0.00 O ATOM 1301 CB LEU A 90 7.322 0.032 1.597 1.00 0.00 C ATOM 1302 CG LEU A 90 5.973 -0.678 1.720 1.00 0.00 C ATOM 1303 CD1 LEU A 90 5.029 0.120 2.606 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.359 -0.898 0.345 1.00 0.00 C ATOM 0 H LEU A 90 9.851 0.309 1.378 1.00 0.00 H new ATOM 0 HA LEU A 90 7.985 0.215 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.142 1.106 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.773 -0.250 0.645 1.00 0.00 H new ATOM 0 HG LEU A 90 6.137 -1.651 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.074 -0.400 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.465 0.226 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.871 1.107 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.400 -1.404 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.209 0.064 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.028 -1.512 -0.258 1.00 0.00 H new ATOM 1316 N THR A 91 7.635 -2.269 3.857 1.00 0.00 N ATOM 1317 CA THR A 91 7.644 -3.693 4.171 1.00 0.00 C ATOM 1318 C THR A 91 6.301 -4.336 3.846 1.00 0.00 C ATOM 1319 O THR A 91 5.256 -3.886 4.316 1.00 0.00 O ATOM 1320 CB THR A 91 7.972 -3.938 5.656 1.00 0.00 C ATOM 1321 OG1 THR A 91 9.096 -3.142 6.047 1.00 0.00 O ATOM 1322 CG2 THR A 91 8.273 -5.408 5.908 1.00 0.00 C ATOM 0 H THR A 91 6.962 -1.723 4.395 1.00 0.00 H new ATOM 0 HA THR A 91 8.420 -4.148 3.555 1.00 0.00 H new ATOM 0 HB THR A 91 7.103 -3.654 6.249 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.297 -3.302 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.502 -5.557 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.405 -6.009 5.637 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.128 -5.713 5.305 1.00 0.00 H new ATOM 1330 N VAL A 92 6.335 -5.392 3.040 1.00 0.00 N ATOM 1331 CA VAL A 92 5.120 -6.099 2.653 1.00 0.00 C ATOM 1332 C VAL A 92 5.132 -7.534 3.168 1.00 0.00 C ATOM 1333 O VAL A 92 5.963 -8.345 2.758 1.00 0.00 O ATOM 1334 CB VAL A 92 4.943 -6.116 1.123 1.00 0.00 C ATOM 1335 CG1 VAL A 92 3.695 -6.895 0.739 1.00 0.00 C ATOM 1336 CG2 VAL A 92 4.885 -4.697 0.579 1.00 0.00 C ATOM 0 H VAL A 92 7.192 -5.777 2.642 1.00 0.00 H new ATOM 0 HA VAL A 92 4.285 -5.561 3.102 1.00 0.00 H new ATOM 0 HB VAL A 92 5.804 -6.616 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.586 -6.896 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.782 -7.921 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.820 -6.427 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.760 -4.727 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.043 -4.170 1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.811 -4.176 0.823 1.00 0.00 H new ATOM 1346 N ARG A 93 4.205 -7.841 4.069 1.00 0.00 N ATOM 1347 CA ARG A 93 4.109 -9.179 4.641 1.00 0.00 C ATOM 1348 C ARG A 93 3.361 -10.120 3.701 1.00 0.00 C ATOM 1349 O ARG A 93 2.184 -9.915 3.409 1.00 0.00 O ATOM 1350 CB ARG A 93 3.401 -9.127 5.997 1.00 0.00 C ATOM 1351 CG ARG A 93 4.322 -8.767 7.151 1.00 0.00 C ATOM 1352 CD ARG A 93 3.545 -8.190 8.324 1.00 0.00 C ATOM 1353 NE ARG A 93 2.809 -9.220 9.052 1.00 0.00 N ATOM 1354 CZ ARG A 93 1.968 -8.958 10.047 1.00 0.00 C ATOM 1355 NH1 ARG A 93 1.757 -7.706 10.429 1.00 0.00 N ATOM 1356 NH2 ARG A 93 1.335 -9.950 10.660 1.00 0.00 N ATOM 0 H ARG A 93 3.510 -7.182 4.419 1.00 0.00 H new ATOM 0 HA ARG A 93 5.120 -9.561 4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.592 -8.398 5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.944 -10.096 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.866 -9.655 7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.064 -8.044 6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.234 -7.688 9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.848 -7.435 7.961 1.00 0.00 H new ATOM 0 HE ARG A 93 2.948 -10.194 8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.241 -6.941 9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.111 -7.508 11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.494 -10.914 10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.690 -9.748 11.424 1.00 0.00 H new ATOM 1370 N ALA A 94 4.055 -11.151 3.230 1.00 0.00 N ATOM 1371 CA ALA A 94 3.457 -12.124 2.324 1.00 0.00 C ATOM 1372 C ALA A 94 2.285 -12.841 2.985 1.00 0.00 C ATOM 1373 O ALA A 94 2.368 -13.252 4.144 1.00 0.00 O ATOM 1374 CB ALA A 94 4.503 -13.129 1.865 1.00 0.00 C ATOM 0 H ALA A 94 5.032 -11.334 3.461 1.00 0.00 H new ATOM 0 HA ALA A 94 3.077 -11.589 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.043 -13.850 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.307 -12.606 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.910 -13.652 2.731 1.00 0.00 H new ATOM 1380 N LEU A 95 1.194 -12.989 2.243 1.00 0.00 N ATOM 1381 CA LEU A 95 0.003 -13.657 2.757 1.00 0.00 C ATOM 1382 C LEU A 95 0.370 -14.962 3.457 1.00 0.00 C ATOM 1383 O LEU A 95 1.385 -15.591 3.158 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.982 -13.934 1.620 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.697 -12.714 1.040 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -3.020 -13.121 0.409 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.919 -11.663 2.117 1.00 0.00 C ATOM 0 H LEU A 95 1.109 -12.655 1.283 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.469 -12.996 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.444 -14.432 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.735 -14.634 1.981 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.065 -12.282 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.515 -12.240 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.836 -13.837 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.658 -13.578 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.429 -10.802 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.530 -12.084 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.957 -11.349 2.523 1.00 0.00 H new